tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate

C14H27NO4 — CID 156777891

IUPACtert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C14H27NO4/c1-5-18-10-11(14(17)8-6-7-9-14)15-12(16)19-13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyJYKWBTXVUQIZDJ-LLVKDONJSA-N
MW273.37 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate

tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate (PubChem CID 156777891) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate
PubChem CID156777891
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C14H27NO4/c1-5-18-10-11(14(17)8-6-7-9-14)15-12(16)19-13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyJYKWBTXVUQIZDJ-LLVKDONJSA-N
XLogP2.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate
CID 85230878
tert-butyl N-[(2S)-1-ethoxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;sulfane
CID 161043210
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl 2-(ethoxymethyl)-3,3-dimethylbutanoate
CID 139783309
(2S)-4-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 129370818
3-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163651503
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate (CID 156777891) is tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate is CCOC[C@@H](NC(=O)OC(C)(C)C)C1(O)CCCC1.
What is the InChIKey of tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate?
The InChIKey is JYKWBTXVUQIZDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-18-10-11(14(17)8-6-7-9-14)15-12(16)19-13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate?
tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate is sourced from PubChem (CID 156777891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).